Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2300460
Preview
| Coordinates | 2300460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Strontium molybdate |
|---|---|
| Formula | Mo O4 Sr |
| Calculated formula | Mo O4 Sr |
| SMILES | [Mo]([O-])([O-])(=O)=O.[Sr+2] |
| Title of publication | Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals |
| Authors of publication | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 5 |
| Pages of publication | 1434 - 1446 |
| a | 5.402647 ± 0.000022 Å |
| b | 5.402647 Å |
| c | 12.04112 ± 0.00008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 351.463 ± 0.003 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| RFsqd | 0.02266 |
| Goodness-of-fit parameter for all reflections | 1.52 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.45 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5405 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301808 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/30 Each referenced PubChem compound corresponds to the full crystal structure. |
2300460.cif |
| 264551 | 2021-04-26 | cif/2/30/04/ Removed the _chemical_name_systematic data item from entries 2300457-2300460 since it had incorrect values. |
2300460.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2300460.cif |
| 114661 | 2014-05-29 | cif/ Adding structures of 2300460 via cif-deposit CGI script. |
2300460.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.